SCHEMBL21642466

SCHEMBL21642466

COc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.50
GRIN2D O15399 8/20 0.50
GRIN3B O60391 8/20 0.50
GRIN2A Q12879 8/20 0.50
GRIN2B Q13224 8/20 0.50
GRIN2C Q14957 8/20 0.50
GRIN3A Q8TCU5 8/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
PGR P06401 1/20 0.45
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP1A2 P05177 1/20 0.36
METAP2 P50579 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5974273 0.81 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL10285831 0.76 GRIN1 (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779818 0.76 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8609931 0.75 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639004 0.75 GRIN1 (0.59) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639502 0.75 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL21676217 0.71 GRIN2D (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873491 0.70 GRIN1 (0.41) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7779892 0.70 GRIN2D (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL21676458 0.69 GRIN2D (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 GRIN1 2316/4885GRIN2D 4382/4885GRIN3B 3751/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 GRIN1 2352/4885GRIN2D 4401/4885GRIN3B 3824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.